==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LECTIN 27-JAN-93 1LOD . COMPND 2 MOLECULE: LEGUME ISOLECTIN I (ALPHA CHAIN); . SOURCE 2 ORGANISM_SCIENTIFIC: LATHYRUS OCHRUS; . AUTHOR Y.BOURNE,C.CAMBILLAU . 908 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34284.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 635 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 416 45.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 90 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 6 7 4 8 8 16 6 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 1 3 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A T 0 0 52 0, 0.0 237,-2.6 0, 0.0 238,-0.5 0.000 360.0 360.0 360.0 139.6 1.2 29.5 38.1 2 2 A E E -AB 227 237A 27 225,-1.6 225,-2.9 235,-0.2 2,-0.3 -0.988 360.0-175.1-137.6 129.3 4.2 31.3 36.5 3 3 A T E -AB 226 236A 19 233,-2.3 233,-1.4 -2,-0.4 2,-0.4 -0.945 9.6-173.3-126.2 145.3 7.6 29.7 36.1 4 4 A T E +AB 225 235A 4 221,-1.5 221,-2.5 -2,-0.3 2,-0.3 -0.977 16.5 165.6-133.2 130.9 10.9 31.1 34.8 5 5 A S E +AB 224 234A 15 229,-2.5 229,-2.5 -2,-0.4 2,-0.3 -0.993 2.9 156.7-141.1 148.9 13.9 28.8 34.3 6 6 A F E -AB 223 233A 2 217,-2.0 217,-2.4 -2,-0.3 2,-0.3 -0.972 15.8-163.8-158.9 159.2 17.2 29.1 32.5 7 7 A S E -AB 222 232A 21 225,-1.8 225,-1.7 -2,-0.3 2,-0.4 -0.987 5.6-173.3-143.2 145.1 20.7 27.6 32.6 8 8 A I E +AB 221 231A 0 213,-2.5 213,-2.3 -2,-0.3 223,-0.2 -0.899 8.0 173.2-137.0 102.5 24.0 28.7 31.1 9 9 A T S S+ 0 0 56 221,-2.9 2,-0.3 -2,-0.4 222,-0.1 0.627 78.6 18.3 -80.0 -19.5 26.6 26.1 31.5 10 10 A K S S- 0 0 88 220,-0.5 -1,-0.3 211,-0.1 2,-0.2 -0.919 77.9-144.1-158.6 116.4 29.2 27.9 29.4 11 11 A F - 0 0 0 18,-2.1 18,-0.1 -2,-0.3 4,-0.0 -0.648 20.7-165.6 -84.2 151.9 28.9 31.6 28.6 12 12 A G - 0 0 16 -2,-0.2 3,-0.2 16,-0.1 14,-0.1 -0.746 35.1 -84.5-134.6-179.2 30.0 32.6 25.2 13 13 A P S S+ 0 0 113 0, 0.0 2,-0.5 0, 0.0 13,-0.2 0.591 117.5 44.4 -72.7 -18.1 30.9 36.0 23.5 14 14 A D + 0 0 80 1,-0.0 2,-1.4 2,-0.0 0, 0.0 -0.712 67.8 167.4-123.3 79.5 27.4 37.2 22.4 15 15 A Q > + 0 0 6 -2,-0.5 3,-1.5 -3,-0.2 -4,-0.0 -0.601 3.6 172.7 -98.1 80.9 25.2 36.4 25.5 16 16 A Q T 3 + 0 0 70 -2,-1.4 -1,-0.2 1,-0.3 263,-0.0 0.522 66.4 66.0 -71.0 -7.5 22.2 38.3 24.5 17 17 A N T 3 S+ 0 0 3 260,-0.1 30,-2.7 2,-0.0 2,-0.3 0.294 93.8 76.8 -97.9 10.0 19.9 37.1 27.3 18 18 A L E < S-P 46 0B 10 -3,-1.5 2,-0.5 28,-0.2 28,-0.2 -0.893 72.1-145.1-115.4 144.0 22.1 39.0 29.8 19 19 A I E -P 45 0B 56 26,-2.4 26,-2.3 -2,-0.3 2,-0.3 -0.971 20.4-152.4-105.7 123.4 22.2 42.7 30.4 20 20 A F E -P 44 0B 70 -2,-0.5 2,-0.3 24,-0.2 24,-0.2 -0.770 13.3-173.8 -97.6 140.5 25.7 43.9 31.2 21 21 A Q E > -P 43 0B 30 22,-2.7 22,-2.3 -2,-0.3 3,-1.4 -0.976 54.6 -10.1-132.1 153.4 26.4 46.9 33.3 22 22 A G E 3 S-P 42 0B 57 -2,-0.3 20,-0.2 1,-0.2 -2,-0.0 -0.402 127.6 -24.5 64.7-130.5 29.6 48.7 34.2 23 23 A D T 3 S+ 0 0 106 18,-2.8 -1,-0.2 10,-0.2 19,-0.2 0.203 97.0 125.1-103.8 17.3 32.6 46.6 33.1 24 24 A G < + 0 0 8 -3,-1.4 2,-0.3 19,-0.3 9,-0.2 -0.524 26.8 149.2 -77.5 141.3 31.1 43.1 33.0 25 25 A Y E -C 32 0A 83 7,-2.0 7,-2.9 -2,-0.2 2,-0.3 -0.963 46.4-103.1-160.5 173.3 31.3 41.1 29.8 26 26 A T E +C 31 0A 16 -2,-0.3 2,-0.3 5,-0.3 5,-0.3 -0.744 43.8 168.1-110.2 136.2 31.6 37.5 28.8 27 27 A T E > -C 30 0A 55 3,-2.8 3,-2.2 -2,-0.3 -16,-0.1 -0.942 56.2 -4.6-158.7 138.6 35.1 36.1 27.7 28 28 A K T 3 S- 0 0 194 -2,-0.3 -16,-0.1 1,-0.3 3,-0.1 0.869 131.6 -47.2 44.3 52.3 36.8 32.7 27.1 29 29 A E T 3 S+ 0 0 79 1,-0.2 -18,-2.1 -18,-0.1 -1,-0.3 0.227 121.7 101.6 77.4 -5.8 33.7 30.8 28.2 30 30 A R E < S-C 27 0A 74 -3,-2.2 -3,-2.8 -20,-0.2 2,-0.7 -0.647 73.1-127.5-109.3 155.9 33.3 32.9 31.4 31 31 A L E -CD 26 218A 0 187,-2.7 187,-2.4 -5,-0.3 2,-0.6 -0.926 33.3-159.2 -90.9 117.7 31.1 35.8 32.6 32 32 A T E +CD 25 217A 2 -7,-2.9 -7,-2.0 -2,-0.7 185,-0.2 -0.870 20.6 173.4-103.3 117.4 33.8 38.2 33.9 33 33 A L E S+ 0 0 1 183,-2.7 2,-0.3 -2,-0.6 -10,-0.2 0.863 73.9 3.1 -86.7 -39.2 32.5 40.8 36.4 34 34 A T E - D 0 216A 2 182,-1.3 182,-1.7 174,-0.1 -1,-0.4 -0.983 64.8-143.6-142.6 141.6 35.8 42.3 37.2 35 35 A K - 0 0 112 -2,-0.3 2,-2.1 180,-0.2 179,-0.5 -0.548 53.4 -83.6 -89.2 178.2 39.4 41.7 35.9 36 36 A A S S+ 0 0 48 -2,-0.2 2,-0.3 177,-0.1 179,-0.2 -0.563 93.6 119.1 -87.3 80.4 42.1 42.0 38.5 37 37 A V - 0 0 68 -2,-2.1 3,-0.4 177,-0.4 177,-0.3 -0.951 65.6-100.4-145.1 144.5 42.2 45.8 38.1 38 38 A R S S+ 0 0 151 -2,-0.3 173,-0.2 1,-0.2 -3,-0.1 -0.167 91.5 14.0 -68.9 159.2 41.6 48.7 40.6 39 39 A N S S+ 0 0 131 171,-2.2 2,-0.3 173,-0.2 -1,-0.2 0.716 86.4 139.3 48.4 49.7 38.5 50.7 40.8 40 40 A T - 0 0 7 -3,-0.4 169,-2.2 -5,-0.1 58,-0.4 -0.828 33.3-169.0-125.4 158.4 35.9 48.6 38.8 41 41 A V E + Q 0 208B 29 -2,-0.3 -18,-2.8 167,-0.2 2,-0.3 -0.987 11.2 176.5-134.4 135.5 32.3 47.5 39.1 42 42 A G E +PQ 22 207B 0 165,-2.3 165,-2.0 -2,-0.3 2,-0.3 -0.991 1.9 173.1-141.3 138.0 30.7 44.9 36.8 43 43 A R E -PQ 21 206B 1 -22,-2.3 -22,-2.7 -2,-0.3 2,-0.3 -0.950 11.1-167.4-139.0 157.8 27.1 43.5 37.0 44 44 A A E -PQ 20 205B 0 161,-1.8 161,-2.4 -2,-0.3 2,-0.3 -0.965 8.6-166.9-147.4 136.8 25.1 41.2 34.7 45 45 A L E -PQ 19 204B 1 -26,-2.3 -26,-2.4 -2,-0.3 159,-0.2 -0.899 29.9-109.2-125.1 146.3 21.4 40.7 35.0 46 46 A Y E -P 18 0B 0 157,-2.2 157,-0.3 -2,-0.3 -28,-0.2 -0.588 34.7-130.5 -70.1 144.6 19.1 38.1 33.5 47 47 A S S S+ 0 0 14 -30,-2.7 -1,-0.1 -2,-0.2 -29,-0.1 0.821 82.9 75.1 -73.6 -32.5 17.1 39.9 30.8 48 48 A S S S- 0 0 0 -31,-0.3 155,-0.3 230,-0.1 198,-0.1 -0.691 82.1-125.3 -80.2 129.9 13.6 38.8 31.7 49 49 A P - 0 0 7 0, 0.0 2,-0.4 0, 0.0 153,-0.2 -0.414 28.0-141.3 -53.3 137.7 11.9 40.3 34.8 50 50 A I E -R 201 0B 0 151,-2.7 151,-2.1 -2,-0.1 2,-1.0 -0.909 9.5-124.8-114.2 142.5 10.8 37.5 37.2 51 51 A H E +R 200 0B 15 -2,-0.4 149,-0.3 149,-0.2 148,-0.1 -0.718 34.6 171.6 -79.0 100.7 7.5 37.6 39.2 52 52 A I - 0 0 2 147,-2.2 9,-2.9 -2,-1.0 2,-0.3 0.761 64.7 -5.3 -89.5 -21.3 8.7 37.1 42.7 53 53 A W B -W 60 0C 37 146,-1.2 2,-0.4 7,-0.3 7,-0.3 -0.967 67.9-129.7-158.0 165.9 5.4 37.7 44.6 54 54 A D > - 0 0 32 5,-2.5 4,-2.0 -2,-0.3 3,-0.3 -0.968 4.2-158.5-128.9 125.4 1.9 38.8 43.5 55 55 A S T 4 S+ 0 0 70 -2,-0.4 -1,-0.1 1,-0.2 5,-0.0 0.860 91.1 61.4 -69.9 -31.8 -0.2 41.6 45.1 56 56 A K T 4 S+ 0 0 146 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.851 124.9 14.6 -64.1 -33.8 -3.5 40.2 43.8 57 57 A T T 4 S- 0 0 93 -3,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.525 95.7-125.7-117.0 -10.1 -3.3 36.9 45.7 58 58 A G < + 0 0 24 -4,-2.0 -3,-0.1 1,-0.2 2,-0.1 0.402 60.6 143.3 76.3 -1.5 -0.5 37.6 48.2 59 59 A N - 0 0 58 -5,-0.2 -5,-2.5 -6,-0.1 2,-0.3 -0.404 35.1-157.5 -68.0 138.8 1.5 34.5 47.0 60 60 A V B -W 53 0C 27 -7,-0.3 168,-0.3 -2,-0.1 -7,-0.3 -0.860 21.5-110.2-119.2 149.8 5.3 34.7 46.9 61 61 A A - 0 0 0 -9,-2.9 2,-0.4 -2,-0.3 166,-0.2 -0.393 12.9-133.8 -76.0 154.9 7.4 32.4 44.6 62 62 A N E +E 226 0A 73 164,-2.1 164,-2.1 105,-0.1 2,-0.3 -0.853 35.9 172.1 -94.4 146.6 9.8 29.6 45.6 63 63 A F E -EF 225 166A 9 103,-1.5 103,-3.0 -2,-0.4 2,-0.3 -0.995 21.3-169.7-152.4 158.8 13.2 29.8 43.7 64 64 A V E -EF 224 165A 46 160,-1.8 160,-2.5 -2,-0.3 2,-0.3 -0.992 7.0-178.8-142.1 141.1 16.6 28.2 43.6 65 65 A T E -EF 223 164A 0 99,-2.7 99,-2.4 -2,-0.3 2,-0.3 -0.985 2.0-174.3-134.1 145.5 19.7 29.3 41.8 66 66 A S E +EF 222 163A 31 156,-1.9 156,-2.6 -2,-0.3 2,-0.3 -0.980 11.3 161.6-133.3 152.6 23.1 27.6 41.7 67 67 A F E -EF 221 162A 2 95,-1.9 95,-2.5 -2,-0.3 2,-0.4 -0.976 29.7-134.8-155.0 157.6 26.3 29.0 40.0 68 68 A T E +EF 220 161A 15 152,-1.3 151,-2.8 -2,-0.3 152,-1.0 -0.970 29.9 174.6-118.2 149.7 30.0 28.3 40.2 69 69 A F E -EF 218 160A 3 91,-1.7 91,-2.4 -2,-0.4 2,-0.3 -0.934 19.8-144.1-144.7 165.6 32.4 31.3 40.4 70 70 A V E -E 217 0A 4 147,-2.4 147,-2.4 -2,-0.3 2,-0.5 -0.973 0.9-160.1-134.6 142.1 36.1 31.9 40.8 71 71 A I E -E 216 0A 3 87,-0.5 86,-3.0 84,-0.3 2,-0.5 -0.999 14.6-172.1-119.3 118.7 37.9 34.8 42.7 72 72 A D E +E 215 0A 83 143,-2.0 143,-2.6 -2,-0.5 84,-0.1 -0.941 9.6 173.6-116.7 110.8 41.5 35.1 41.4 73 73 A A - 0 0 6 -2,-0.5 141,-0.2 141,-0.2 6,-0.1 -0.823 45.9-107.9-116.5 153.1 43.6 37.5 43.4 74 74 A P S S- 0 0 78 0, 0.0 2,-0.3 0, 0.0 5,-0.1 0.814 99.5 -26.0 -44.7 -36.3 47.4 38.3 43.3 75 75 A N S S- 0 0 65 3,-0.4 0, 0.0 -3,-0.0 0, 0.0 -0.926 76.2 -89.6-163.4 177.6 47.8 36.5 46.6 76 76 A S S S+ 0 0 61 -2,-0.3 3,-0.2 1,-0.2 78,-0.1 0.509 115.2 56.8 -78.5 -7.5 45.6 35.7 49.5 77 77 A Y S S+ 0 0 200 1,-0.2 2,-1.0 -4,-0.0 -1,-0.2 0.878 102.7 47.5 -91.7 -41.9 46.3 38.9 51.5 78 78 A N S S+ 0 0 76 45,-0.0 -3,-0.4 2,-0.0 2,-0.4 -0.794 76.7 136.6-106.5 92.3 45.4 41.7 49.1 79 79 A V - 0 0 1 -2,-1.0 2,-0.3 43,-0.2 135,-0.2 -0.990 32.5-156.3-135.4 134.7 41.9 40.7 47.8 80 80 A A - 0 0 2 -2,-0.4 2,-0.2 43,-0.1 18,-0.0 -0.949 33.0 -14.5-168.8 161.8 38.9 43.0 47.4 81 81 A D - 0 0 6 -2,-0.3 41,-1.3 132,-0.2 42,-0.9 -0.889 64.9-130.5 -99.3 -34.7 36.0 43.6 47.2 82 82 A G E -ST 121 208B 0 126,-1.1 126,-1.5 39,-0.2 2,-0.3 -0.908 11.0 -93.3 149.8-171.5 33.6 40.8 46.6 83 83 A F E -ST 120 207B 0 37,-1.5 37,-3.0 -2,-0.3 2,-0.3 -0.934 27.5-164.9-143.1 149.7 30.7 39.4 44.6 84 84 A T E -ST 119 206B 0 122,-2.1 122,-1.5 -2,-0.3 2,-0.4 -0.949 18.8-151.2-138.7 151.4 27.0 39.4 45.1 85 85 A F E -ST 118 205B 3 33,-1.9 33,-2.7 -2,-0.3 2,-0.3 -0.993 40.6-179.1-111.4 130.9 23.9 37.6 43.8 86 86 A F E -ST 117 204B 0 118,-2.4 118,-2.0 -2,-0.4 2,-0.4 -0.885 33.2-149.5-137.6 163.3 21.1 40.2 44.1 87 87 A I E +ST 116 203B 4 29,-2.7 29,-1.8 -2,-0.3 116,-0.2 -0.995 37.0 150.8-127.1 133.9 17.4 40.7 43.5 88 88 A A E - 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